DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:39 UTC
Update Date	2025-03-25 00:48:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170792
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₂O₁₇S₂
Molecular Mass	570.0673
SMILES	COC1C(C(=O)O)OC(OC2C(COS(=O)(=O)O)OC(O)C(NC(C)=O)C2O)C(O)C1NS(=O)(=O)O
InChI Key	YOSWNGYJJMXKMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids dialkyl ethers gamma amino acids and derivatives glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoamides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid glucuronic acid or derivatives gamma amino acid or derivatives monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether n-acyl-alpha-hexosamine organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran sulfuric acid monoamide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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